5-Hydroxy-2-nitrobenzoic acid

HCID 11882CAS 610-37-7

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Grundinformationen

Standard-SMILES: O=C(O)c1cc(O)ccc1[N+](=O)[O-]
InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N
Summenformel: C7H5NO5
Durchschnittliche Molmasse: 183,12 g/mol
Monoisotopische Masse: 183,01677226

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxy-2-nitrobenzoic acid
IUPAC: 5-hydroxy-2-nitrobenzoic acid
Englischer Name: 5-Hydroxy-2-nitrobenzoic acid
Summenformel: C7H5NO5
Molmasse: 183.12

Namen und Synonyme

5-Hydroxy-2-nitrobenzoic acidBENZOIC ACID, 5-HYDROXY-2-NITRO-BRN 2107504DTXSID202098564-10-00-00338 (Beilstein Handbook Reference)RefChem:102766DTXCID70132347629-984-5BUHKQTKKZAXSMH-UHFFFAOYSA-N610-37-73-Carboxy-4-nitrophenolMFCD00017566

Weitere Namen anzeigen

RARECHEM AL BE 06795-Hydroxy-2-nitrobenzoic5-hydroxy-2-nitro-benzoicaci3-Hydroxy-6-nitro benzoic acid5-Hydroxy-2-nitrobenzoicAcid>Benzoic acid, 5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzoic acid, tech

AKOS009157631CS-W017066AC-3262H1321EN300-116557AO-801/41077445doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.12-Nitro-5-hydroxybenzoic acid

Datenbank-Bezeichner

CAS: 610-37-7
PubChem CID: 11882
DTXSID: DTXSID20209856
UNII: G78T63TEY2
EC Number: 629-984-5
Nikkaji: J385.141I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 103 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Schmelzpunkt: 170 · 170-171°C
Siedepunkt: 455 · 455.0±40.0 °C(Predicted)
Dichte: 1.631 · 1.631
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 2.06 · 2.06±0.25(Predicted)
Farbe: White to Yellow to Green
CAS Datenbank: 610 · 610-37-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.5%)

Sicherheitsdaten

hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39

Chemie und Industrie

Anwendungen

Verwenden5-Hydroxy-2-nitrobenzoic acid inhibits the activity of wild type-bovine low Mr protein tyrosine phosphatase. The inhibition constant has been evaluated.